BDBM230906 US9334286, 32

SMILES: COCCn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3OC)-c3cnc(C)n3CO)cc2c1

InChI Key: InChIKey=HDMNFZUHDCOYRR-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 230906   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230906 (US9334286, 32) Show SMILES COCCn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3OC)-c3cnc(C)n3CO)cc2c1 Show InChI InChI=1S/C27H28N6O3/c1-18-28-15-25(33(18)17-34)20-6-7-24(26(11-20)36-3)31-27-12-22-10-19(4-5-21(22)13-29-27)23-14-30-32(16-23)8-9-35-2/h4-7,10-16,34H,8-9,17H2,1-3H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair